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We present a theory for the equilibrium structure of polyelectrolyte solutions. The main element is a simple, new optimization scheme that allows theories such as the random phase approximation (RPA) to handle the harsh repulsive forces…

Soft Condensed Matter · Physics 2009-11-10 James P. Donley , David R. Heine , David T. Wu

The osmotic coefficient of solutions of rod-like polyelectrolytes is considered by comparing current theoretical treatments and simulations to recent experimental data. The discussion is restricted to the case of monovalent counterions and…

Soft Condensed Matter · Physics 2009-11-07 M. Deserno , C. Holm , J. Blaul , M. Ballauff , M. Rehahn

A mode-coupling theory for dense polymeric systems is developed which unifyingly incorporates the segmental cage effect relevant for structural slowing down and polymer chain conformational degrees of freedom. An ideal glass transition of…

Soft Condensed Matter · Physics 2009-11-07 S. -H. Chong , M. Fuchs

A self-consistent mode coupling theory (MCT) with microscopic inputs of equilibrium pair correlation functions is developed to analyze electrolyte dynamics. We apply the theory to calculate concentration dependence of (i) time dependent ion…

Statistical Mechanics · Physics 2015-01-09 Susmita Roy , Subramanian Yashonath , Biman Bagchi

We present a generalized mode-coupling theory for a dense binary fluid mixture. The theory is used to calculate molecular-scale renormalizations to the stress-tensor autocorrelation function (STAF) and to the long-wavelength zero-frequency…

Soft Condensed Matter · Physics 2009-11-11 Supurna Sinha , M. Cristina Marchetti

The predictions of the polymer mode coupling theory for the finite size corrections to the transport coefficients of entangled polymeric systems are tested in comparisons with various experimental data. It is found that quantitative…

Condensed Matter · Physics 2009-10-30 Matthias Fuchs , Kenneth S. Schweizer

Brownian motion and viscoelasticity of semiflexible polymers is a subject that has been studied for many years. Still, rigorous analysis has been hindered due to the difficulty in handling the constraint that polymer chains cannot be…

Soft Condensed Matter · Physics 2024-05-22 Zhongqiang Xiong , Ryohei Seto , Masao Doi

We derive a Debye-H\"uckel-like model of the electric ion-ion interaction for non-constant dielectric susceptibility, which does not depend on any kind of charging process due to its foundation in the general framework of non-equilibrium…

Chemical Physics · Physics 2025-02-24 Wolfgang Dreyer , Rüdiger Müller

Self-consistent theory for concentrated electrolytes is developed. Oscillatory decay of the charge-charge correlation function with the decay length that shows perfect agreement with the experimentally discovered and so far unexplained…

Soft Condensed Matter · Physics 2021-08-11 A. Ciach , O. Patsahan

We derive a mode-coupling theory for the slow dynamics of fluids confined in disordered porous media represented by spherical particles randomly placed in space. Its equations display the usual nonlinear structure met in this theoretical…

Soft Condensed Matter · Physics 2007-05-23 V. Krakoviack

Modeling ion correlations in inhomogeneous polymers and soft matters with spatially varying ionic strength or dielectric permittivity remains a great challenge. Here, we develop a new theory which systematically incorporates electrostatic…

Soft Condensed Matter · Physics 2024-07-01 Chao Duan , Nikhil R. Agrawal , Rui Wang

Electrostatic correlations between ions dissolved in water are known to impact their transport properties in numerous ways, from conductivity to ion selectivity. The effects of these correlations on the solvent itself remain, however, much…

Soft Condensed Matter · Physics 2024-01-31 Paul Robin

Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these…

Soft Condensed Matter · Physics 2015-06-23 Manman Ma , Zhenli Xu

We investigate the properties of rigid polyelectrolyte solutions in presence of monovalent salt. The free energy within the Debye-H\"uckel-Bjerrum (DHBj) theory [M. E. Fisher and Y. Levin, {\it Phys. Rev. Lett.} 71, 3826 (1993)] is…

Condensed Matter · Physics 2009-10-31 Paulo S. Kuhn , Yan Levin , Marcia C. Barbosa

Based on the random phase approximation, we develop a molecular theory of self-coacervation in zwitterionic polymer solutions. We show that the interplay between the volume interactions of the monomeric units and electrostatic correlations…

Soft Condensed Matter · Physics 2023-03-30 Yu. A. Budkov , P. E. Brandyshev , N. N. Kalikin

The transport coefficients of dense polymeric fluids are approximately calculated from the microscopic intermolecular forces. The following finite molecular weight effects are discussed within the Polymer-Mode-Coupling theory (PMC) and…

Condensed Matter · Physics 2009-10-30 Matthias Fuchs , Kenneth S. Schweizer

The effective quasistatic conductivity of composite polymeric electrolytes is studied in terms of a hard-core--penetrable-layer model. Used to incorporate the interface phenomena (such as amorphization of the polymer matrix around filler…

Materials Science · Physics 2019-11-05 M. Ya. Sushko , A. K. Semenov

We show that the vibrational response of a glassy liquid at finite frequencies can be described by continuum mechanics despite the vast degeneracy of the vibrational ground state; standard continuum elasticity assumes a unique ground state.…

Disordered Systems and Neural Networks · Physics 2015-06-23 Dmytro Bevzenko , Vassiliy Lubchenko

We develop a nonequilibrium mode-coupling theory for uniformly sheared systems starting from microscopic, thermostatted SLLOD equations of motion. Our theory aims at describing stationary-state properties including rheological ones of…

Soft Condensed Matter · Physics 2009-11-13 Song-Ho Chong , Bongsoo Kim

Self-consistent theory of electron localization in disordered systems is generalized for the case of interacting electrons. We propose and critically compare a number of possible self-consistency schemes which take into account the lowest…

Condensed Matter · Physics 2008-02-03 E. Z. Kuchinskii , M. V. Sadovskii , V. G. Suvorov
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